133244 2006-05-13 16:05 0000 Need Ghemical / OpenBabel / LibGhemical ~amd64 2007-01-19 03:39:02 0000 1 1 1 Unclassified Gentoo Linux Ebuilds unspecified AMD64 Linux RESOLVED FIXED P2 enhancement --- 116715 123170 1 donald-curtis@uiowa.edu amd64@gentoo.org jak137@o2.pl jean.brefort@normalesup.org donald-curtis@uiowa.edu 2006-05-13 16:05:49 0000 Need to get these ebuild keyworded. See: <a href="http://bugs.gentoo.org/show_bug.cgi?id=132835">Bug 132835</a> jean.brefort@normalesup.org 2006-05-14 05:32:22 0000 I tested and they work with ~amd64. Please also keyword mopac7 (#133268) beandog@gentoo.org 2006-11-24 13:58:16 0000 libghemical is done, but I'm not going to do ghemical until the gtk eselect bug is fixed. beandog@gentoo.org 2006-11-24 13:59:09 0000 libghemical is done, but I'm not going to do ghemical until the gtk eselect bug is fixed. jak137@o2.pl 2006-12-21 09:10:24 0000 Hi, I had a problem with ghemical on amd64 that was described in #158570. In case of the version 2.01 it is also necessary to patch views.cpp. Eventually I was able to get a nearly working (MPQC geometry optimization seems to be broken) ghemical binary by applying a patch borrowed from debian and following procedure described in http://bioinformatics.org/pipermail/ghemical-devel/2006-June/000582.html The patch and an ugly ebuild is provided... jak137@o2.pl 2006-12-21 09:10:58 0000 Created an attachment (id=104519) ghemical-2.01-views.patch jak137@o2.pl 2006-12-21 09:11:36 0000 Created an attachment (id=104520) ghemical-2.01-r1.diff (ulgy ebuild hack) jak137@o2.pl 2006-12-21 09:12:41 0000 Created an attachment (id=104521) ugly_main_hack.cpp jak137@o2.pl 2006-12-21 09:14:07 0000 (In reply to comment #4) Please note that I have libghemical with mopac7 support. je_fro@gentoo.org 2007-01-19 03:39:02 0000 everything's keyworded, ghemical-2.10 works fine on amd64. 104519 2006-12-21 09:10 0000 ghemical-2.01-views.patch ghemical-2.01-views.patch text/plain LS0tIHNyYy92aWV3cy5jcHAub3JpZwkyMDA2LTEyLTIxIDE2OjE0OjA3LjAwMDAwMDAwMCArMDEw MAorKysgc3JjL3ZpZXdzLmNwcAkyMDA2LTEyLTIxIDE2OjE1OjExLjAwMDAwMDAwMCArMDEwMApA QCAtMjU3LDcgKzI1Nyw3IEBACiAJCiAJLy8gdGhlbiBqdXN0IHN0b3JlIHRoZSBjb29yZGluYXRl cy4uLgogCQotCWZHTCAqIHB0cjIgPSAoZkdMICopICgoaTMydSkgdWRhdGEgKyBzaXplb2YoaTMy cykpOyBpMzJzIGNvdW50ZXIgPSAwOworCWZHTCAqIHB0cjIgPSAoZkdMICopICgobG9uZykgdWRh dGEgKyBzaXplb2YoaTMycykpOyBpMzJzIGNvdW50ZXIgPSAwOwogCWZvciAoaXRlcl9hbCBpdDEg PSBtZGwtPkdldEF0b21zQmVnaW4oKTtpdDEgIT0gbWRsLT5HZXRBdG9tc0VuZCgpO2l0MSsrKQog CXsKIAkJY29uc3QgZkdMICogY2RhdGEgPSAoKiBpdDEpLkdldENSRChjc2V0KTsKQEAgLTI3OCw3 ICsyNzgsNyBAQAogCQlyZXR1cm47CiAJfQogCQotCWZHTCAqIHB0cjIgPSAoZkdMICopICgoaTMy dSkgdWRhdGEgKyBzaXplb2YoaTMycykpOyBpMzJzIGNvdW50ZXIgPSAwOworCWZHTCAqIHB0cjIg PSAoZkdMICopICgobG9uZykgdWRhdGEgKyBzaXplb2YoaTMycykpOyBpMzJzIGNvdW50ZXIgPSAw OwogCWZvciAoaXRlcl9hbCBpdDEgPSBwcmotPkdldEF0b21zQmVnaW4oKTtpdDEgIT0gcHJqLT5H ZXRBdG9tc0VuZCgpO2l0MSsrKQogCXsKIAkJY29uc3QgaTMycyBjc2V0ID0gMDsJLy8gaG93IHRv IHNldCB0aGlzPyE/IT8hCg== 104520 2006-12-21 09:11 0000 ghemical-2.01-r1.diff (ulgy ebuild hack) ghemical-2.01-r1.diff text/plain LS0tIC91c3IvcG9ydGFnZS9zY2ktY2hlbWlzdHJ5L2doZW1pY2FsL2doZW1pY2FsLTIuMDEuZWJ1 aWxkCTIwMDYtMDctMDkgMDk6NDc6MTguMDAwMDAwMDAwICswMjAwCisrKyAvdXNyL2xvY2FsL3Bv cnRhZ2Uvc2NpLWNoZW1pc3RyeS9naGVtaWNhbC9naGVtaWNhbC0yLjAxLXIxLmVidWlsZAkyMDA2 LTEyLTIxIDE3OjQ4OjE4LjAwMDAwMDAwMCArMDEwMApAQCAtMiw3ICsyLDcgQEAKICMgRGlzdHJp YnV0ZWQgdW5kZXIgdGhlIHRlcm1zIG9mIHRoZSBHTlUgR2VuZXJhbCBQdWJsaWMgTGljZW5zZSB2 MgogIyAkSGVhZGVyOiAvdmFyL2N2c3Jvb3QvZ2VudG9vLXg4Ni9zY2ktY2hlbWlzdHJ5L2doZW1p Y2FsL2doZW1pY2FsLTIuMDEuZWJ1aWxkLHYgMS40IDIwMDYvMDcvMDkgMDc6MDg6MTAgZGJlcmto b2x6IEV4cCAkCiAKLWluaGVyaXQgZXV0aWxzCitpbmhlcml0IGV1dGlscyBmbGFnLW8tbWF0aWMg dG9vbGNoYWluLWZ1bmNzCiAKIERFU0NSSVBUSU9OPSJDaGVtaWNhbCBxdWFudHVtIG1lY2hhbmlj cyBhbmQgbW9sZWN1bGFyIG1lY2hhbmljcyIKIEhPTUVQQUdFPSJodHRwOi8vYmlvaW5mb3JtYXRp Y3Mub3JnL2doZW1pY2FsLyIKQEAgLTI0LDYgKzI0LDE0IEBACiBERVBFTkQ9IiR7UkRFUEVORH0K IAk+PWRldi11dGlsL3BrZ2NvbmZpZy0wLjE1IgogCitzcmNfdW5wYWNrKCkgeworCXVucGFjayAk e0F9CisJY2QgIiR7U30iCisJZXBhdGNoICIke0ZJTEVTRElSfSIvJHtQfS12aWV3cy5wYXRjaAor CWNwICIke0ZJTEVTRElSfSIvdWdseV9tYWluX2hhY2suY3BwIC4KK30KKworCiBwa2dfc2V0dXAo KSB7CiAJIyBPbmx5IHdvcmtzIHdpdGggeG9yZy14MTEgR0wgaW1wbGVtZW50YXRpb24KIAlHTF9J TVBMRU09JChlc2VsZWN0IG9wZW5nbCBzaG93KQpAQCAtMzEsNiArMzksOSBAQAogfQogCiBzcmNf Y29tcGlsZSgpIHsKKwkkKHRjLWdldENDKSAke0NGTEFHU30gLWMgdWdseV9tYWluX2hhY2suY3Bw CisJY3AgdWdseV9tYWluX2hhY2subyBzcmMKKwlhcHBlbmQtbGRmbGFncyAtbGdsdXQgLWxmMmMg LWxtIHVnbHlfbWFpbl9oYWNrLm8KIAllY29uZiBcCiAJCSQodXNlX2VuYWJsZSB0b29sYmFyIHNo b3J0Y3V0cykgXAogCQkkKHVzZV9lbmFibGUgb3BlbmJhYmVsKSBcCg== 104521 2006-12-21 09:12 0000 ugly_main_hack.cpp ugly_main_hack.cpp text/plain ZXh0ZXJuICJDIiB7CmludCBNQUlOX18gKCkKewogIHJldHVybiAwOwp9Cn0K